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Herein, we present a novel analysis framework for grain size profile of ferroelectric hafnia to tackle critical shortcomings inherent in the current microstructural analysis. We vastly enhanced visibility of grains with ion beam treatment…

The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…

Computational Physics · Physics 2017-05-11 Daniel Queteschiner , Thomas Lichtenegger , Simon Schneiderbauer , Stefan Pirker

Several methods of statistical analysis are proposed and analyzed in application for a specific task -- extraction of the structure functions from the cross sections of deep inelastic interactions of any type. We formulate the method based…

High Energy Physics - Phenomenology · Physics 2007-11-30 S. N. Sevbitov , T. V. Shishkina , I. L. Solovtsov

A stochastic 3D microstructure model for polycrystals is introduced which incorporates two types of twin grains, namely neighboring and inclusion twins. They mimic the presence of crystal twins in $\gamma$-TiAl polycrystalline…

Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

Materials Science · Physics 2014-08-26 Jason F. Panzarino , Timothy J. Rupert

Grain growth is a ubiquitous and fundamental phenomenon observed in the cellular structures with the grain assembly separated by a network of grain boundaries, including metals and ceramics. However, the underlying mechanism of grain growth…

Materials Science · Physics 2021-02-18 Jianfeng Hu , Xianhao Wang , Junzhan Zhang , Zhijian Shen , Jun Luo , Jian Luo

The physical properties of polycrystalline materials depend on their microstructure, which is the nano-to-centimeter-scale arrangement of phases and defects in their interior. Such microstructure depends on the shape, crystallographic phase…

Quasicrystals exhibit long-range order but lack translational symmetry. When grown as single crystals, they possess distinctive and unusual properties owing to the absence of grain boundaries. Unfortunately, conventional methods such as…

Polycrystal microstructures, with their distinct physical, chemical, structural and topological entities, play an important role in determining the effective properties of materials. Particularly for computational studies, the well-known…

Materials Science · Physics 2021-07-07 Prince Henry Serrao , Stefan Sandfeld , Aruna Prakash

We study the permeability of quasi two-dimensional porous structures of randomly placed overlapping monodisperse circular and elliptical grains. Measurements in microfluidic devices and lattice Boltzmann simulations demonstrate that the…

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

Materials Science · Physics 2022-07-26 Erdem Eren , Brandon Runnels , Jeremy Mason

Determining the atomic-level structure of crystalline solids is critically important across a wide array of scientific disciplines. The challenges associated with obtaining samples suitable for single-crystal diffraction, coupled with the…

Scattering experiments can be leveraged to extract the effective properties of a heterogeneous metamaterial slab based on multi-point measurements in surrounding media. In this technique, two measurements are made in the ambient media on…

Applied Physics · Physics 2023-07-14 Joshua Morris , Alireza V. Amirkhizi

The population of dislocation defects in a crystalline material strongly influences its properties, so the ability to analyse this population in experimental samples is of great utility. As a complement to direct counting in the…

Materials Science · Physics 2022-05-02 C P Race , T Ungar , G Ribarik

Much of our understanding of complex structures is based on simplification: for example, metal-organic frameworks are often discussed in the context of "nodes" and "linkers", allowing for a qualitative comparison with simpler inorganic…

Materials Science · Physics 2020-05-21 Thomas C. Nicholas , Andrew L. Goodwin , Volker L. Deringer

The fabric of porous and fractured media contains solid regions (grains) and voids. The space conducting fluids is a system of connected voids with variable geometries. Relative to the grain sizes, the voids can be voluminous with three…

Mathematical Physics · Physics 2025-01-16 Changhao Liu , Kiprian Berbatov , Majid Sedighi , Andrey P. Jivkov

Extended defects in crystals, such as dislocations, stacking faults and grain boundaries, play a crucial role in determining a wide variety of materials properties. Extended defects can also lead to novel electronic properties in…

Materials Science · Physics 2021-01-26 Jon Gabriel Goiri , Anton Van der Ven

A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Geslin et al. to consider dealloying in the presence of grain…

Materials Science · Physics 2023-08-07 Nathan Bieberdorf , Mark D. Asta , Laurent Capolungo

Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their study, there are still many open questions. The main…

Materials Science · Physics 2021-06-28 Arslan B. Mazitov , Artem R. Oganov

Layered materials (LMs) are at the centre of an ever increasing research effort due to their potential use in a variety of applications. The presence of imperfections, such as bi- or multilayer areas, holes, grain boundaries, isotropic and…